Geometry & MOs

Info

ID:	209001
PubChem CID:	80611090
Reduced:	IN3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	373.10149
ΔH_f, kcal/mol:	25.5
Dipole, Da:	3.3
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclooctyl-5-iodo-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1I)C2CCCCCCC2

DOS

IR

Vibrations